SCHEMBL1633416

SCHEMBL1633416

O=S(=O)(c1ccc(Nc2ncc3ccc(-c4cn[nH]c4)cc3n2)cc1)C1CNCCO1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.54
JUN P05412 2/20 0.51
MAPK10 P53779 2/20 0.51
MAPK8 P45983 1/20 0.51
MAP3K5 Q99683 2/20 0.41
USP30 Q70CQ3 1/20 0.40
MAP4K3 Q8IVH8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1632143 0.79 MAP4K1 (0.58) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL1634873 0.78 MAP4K1 (0.44) MAP4K1MAP4K3
SCHEMBL1632404 0.77 MAPK10 (0.63) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL1632325 0.76 HRH3 (0.40) MAP4K1
SCHEMBL1633852 0.71 JAK2 (0.56)
SCHEMBL1632340 0.70 MAPK10 (0.63) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL30512125 0.69 MAP4K1 (0.59) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL30512124 0.69 MAP4K1 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL25880624 0.69 MAP4K1 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL25882556 0.68 MAP4K1 (0.57) MAP4K1JUNMAPK10MAPK8MAP3K5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed